N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C13H16N2O2S2 — CID 111695946

IUPACN-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C13H16N2O2S2/c1-9(16)3-5-15(2)13(17)11-7-14-12(19-11)10-4-6-18-8-10/h4,6-9,16H,3,5H2,1-2H3
InChIKeyOREWZPMGWYWMHO-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.71
Rot. Bonds5

About N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 111695946) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID111695946
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C13H16N2O2S2/c1-9(16)3-5-15(2)13(17)11-7-14-12(19-11)10-4-6-18-8-10/h4,6-9,16H,3,5H2,1-2H3
InChIKeyOREWZPMGWYWMHO-UHFFFAOYSA-N
XLogP2.71
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxybutyl)-N-methylthiophene-3-carboxamide
CID 111695384
N-[2-(methylamino)propyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120830738
2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 110021988
N-(3-hydroxy-3-phenylpropyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111471875
N-(3-amino-4-methylpentyl)-2-(1,3-benzodioxol-5-yl)-N-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119658740
5-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695665
4-[methyl-(2-phenyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 119172820
N-ethyl-1-(2-thiophen-3-yl-1,3-thiazol-5-yl)ethanamine
CID 62653180
N-(4-ethoxy-3-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 86940566
4-[methyl(thiophen-3-ylmethyl)amino]butan-2-ol
CID 115883116
N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111484821
3-bromo-N-(3-hydroxybutyl)-N-methylthiophene-2-carboxamide
CID 111695920

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 111695946) is N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is CC(O)CCN(C)C(=O)c1cnc(-c2ccsc2)s1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OREWZPMGWYWMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9(16)3-5-15(2)13(17)11-7-14-12(19-11)10-4-6-18-8-10/h4,6-9,16H,3,5H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111695946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).